SCHEMBL24936178

SCHEMBL24936178

CC(C)(C)c1cc(C2CCCC2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.45
DAO P14920 2/20 0.39
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CCNA1 P78396 4/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HCAR3 P49019 1/20 0.37
DRD4 P21917 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17688929 0.96 HCAR2 (0.49) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL12413622 0.92 HCAR2 (0.46) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL22535481 0.86 MKNK1 (0.49) HCAR2HPGDTSHRHCAR3KMT2A
SCHEMBL22327725 0.84 DAO (0.44) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL24759495 0.78 HCAR2 (0.47) HCAR2CCNA2CDK2CCNA1HCAR3
SCHEMBL21450656 0.75 CCNA2 (0.42) HCAR2CCNA2CDK2CCNA1HCAR3
SCHEMBL22535529 0.75 NPC1 (0.35) HPGDTSHR
SCHEMBL15834440 0.75 HCAR2 (0.49) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL1667926 0.75 HCAR2 (0.47) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL17412842 0.73 HCAR2 (0.47) HCAR2DAOCCNA2CDK2CCNA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022304-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230022304-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP HCAR2 3916/4885DAO 3483/4885CCNA2 563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.